Project name: wt protein

Chain sequence(s)	F: ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
Selected Chain(s)	F
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with F chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.9599
• Maximal score value: 1.7822
• Average score: -0.6793
• Total score value: -89.6621

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
3	K	F	-1.4395
4	A	F	0.0000
5	V	F	1.2173
6	C	F	0.0000
7	V	F	1.3820
8	L	F	0.0000
9	K	F	-1.5790
15	Q	F	-1.8842
16	G	F	-0.5660
17	I	F	1.1732
18	I	F	0.0000
19	N	F	0.1063
20	F	F	0.0000
21	E	F	-1.7776
22	Q	F	-2.4560
23	K	F	-3.2674
24	E	F	-3.3157
25	S	F	-2.1195
26	N	F	-2.3757
27	G	F	-2.0169
28	P	F	-1.2996
29	V	F	0.0000
31	V	F	0.0000
32	W	F	0.7290
33	G	F	0.5648
34	S	F	-0.2382
35	I	F	0.0000
36	K	F	-2.5403
37	G	F	-1.9316
38	L	F	0.0000
39	T	F	-2.2561
40	E	F	-3.2357
41	G	F	-1.1970
42	L	F	0.1061
43	H	F	0.0000
44	G	F	0.0000
45	F	F	0.0000
46	H	F	0.0000
47	V	F	0.0000
48	H	F	0.0000
49	E	F	-0.5453
50	F	F	0.3944
51	G	F	-0.2164
52	D	F	-1.2157
54	T	F	-0.6742
55	A	F	-0.4646
56	G	F	-0.8531
57	C	F	-0.3767
58	T	F	-0.4220
59	S	F	-0.5478
60	A	F	0.0000
61	G	F	-0.3166
62	P	F	-0.5707
63	H	F	0.0000
64	F	F	0.0000
65	N	F	-1.0710
66	P	F	-0.2786
67	L	F	0.3939
69	R	F	-2.7624
70	K	F	-3.1703
71	H	F	0.0000
72	G	F	0.0000
73	G	F	0.0000
74	P	F	-1.4772
75	K	F	-2.8094
76	D	F	-3.1802
77	E	F	-3.2671
79	R	F	0.0000
80	H	F	0.0000
81	V	F	0.0000
82	G	F	0.0000
83	D	F	0.0000
84	L	F	0.0000
85	G	F	0.0000
86	N	F	0.1441
87	V	F	0.0000
88	T	F	-0.5458
89	A	F	0.0000
90	D	F	-3.6796
91	K	F	-3.9599
92	D	F	-3.7525
93	G	F	0.0000
94	V	F	-2.3428
95	A	F	-1.3140
97	V	F	0.5853
98	S	F	0.4742
99	I	F	0.8134
101	D	F	-0.3988
102	S	F	-0.6247
103	V	F	-0.2995
104	I	F	0.0000
105	S	F	-0.5516
106	L	F	-0.1448
110	H	F	-0.6422
112	I	F	0.0000
113	I	F	0.8959
114	G	F	0.3960
115	R	F	-0.1039
116	T	F	0.0000
117	L	F	0.0000
118	V	F	0.0000
119	V	F	0.0000
120	H	F	0.0000
121	E	F	-1.8738
123	A	F	-0.4649
124	D	F	0.0000
125	D	F	-1.0634
126	L	F	-0.7952
127	G	F	-1.6515
129	G	F	-1.3820
130	G	F	-1.2560
132	E	F	-2.5399
134	S	F	0.0000
135	T	F	-2.5476
136	K	F	-3.0008
137	T	F	-1.9240
138	G	F	0.0000
139	N	F	-2.3675
140	A	F	0.0000
141	G	F	-1.5271
142	S	F	-1.1847
143	R	F	-0.7116
144	L	F	-0.3954
145	A	F	0.0000
146	C	F	-0.1161
147	G	F	0.3126
148	V	F	1.5818
149	I	F	0.0000
150	G	F	1.2442
151	I	F	1.7822
152	A	F	-0.0649
153	Q	F	-1.0170